ethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten

C16H26NW- — CID 160975474

IUPACethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten
SMILESCC.CC(C)N1CC[C-](c2ccccc2)CC1.[W]
InChIInChI=1S/C14H20N.C2H6.W/c1-12(2)15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-2;/h3-7,12H,8-11H2,1-2H3;1-2H3;/q-1;;
InChIKeyQIGISJDUOKZCKN-UHFFFAOYSA-N
MW416.23 g/mol
LogP4.14
Rot. Bonds2

About ethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten

ethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten (PubChem CID 160975474) has the molecular formula C16H26NW- and a molecular weight of 416.23 g/mol. Its IUPAC name is ethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten.

Molecular Properties

Compound Nameethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten
PubChem CID160975474
Molecular FormulaC16H26NW-
Molecular Weight416.23 g/mol
Exact Mass416.16
IUPAC Nameethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten
SMILESCC.CC(C)N1CC[C-](c2ccccc2)CC1.[W]
InChIInChI=1S/C14H20N.C2H6.W/c1-12(2)15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-2;/h3-7,12H,8-11H2,1-2H3;1-2H3;/q-1;;
InChIKeyQIGISJDUOKZCKN-UHFFFAOYSA-N
XLogP4.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten?
The IUPAC name of ethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten (CID 160975474) is ethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten.
What is the SMILES notation for ethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten?
The canonical SMILES for ethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten is CC.CC(C)N1CC[C-](c2ccccc2)CC1.[W].
What is the InChIKey of ethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten?
The InChIKey is QIGISJDUOKZCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N.C2H6.W/c1-12(2)15-10-8-14(9-11-15)13-6-4-3-5-7-13;1-2;/h3-7,12H,8-11H2,1-2H3;1-2H3;/q-1;;.
What are the key properties of ethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten?
ethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten has a molecular weight of 416.23 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-phenyl-1-propan-2-ylpiperidin-4-ide;tungsten is sourced from PubChem (CID 160975474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).